openmolecules.org

 
Home » DataWarrior » Functionality » Viewing 3D confs with protein
Viewing 3D confs with protein [message #2469] Mon, 09 March 2026 17:54 Go to next message
chemtv is currently offline  chemtv
Messages: 29
Registered: February 2015
Location: Indianapolis
Junior Member
Thanks for all the new capabilities. After an external docking... I have figured out how to "Append" a reference xray ligand and a very small active site selection (as SDFs). My question is: After I set the active site to be shown with another structure that works fine... but if I choose a molecule in the middle of the table, I can't get to the graphics window to rotate the view without it changing the ligand I'm trying to examine. Is there a special key to press to prevent the cursor from selecting neighboring molecules? If not I suppose I can set the "Horizontal Structure Count" to 1? Is that the only solution? Maybe I am just trying to look at too many structures anyway  Rolling Eyes

Thanks,
Greg

Report message to a moderator

Re: Viewing 3D confs with protein [message #2470 is a reply to message #2469] Sat, 21 March 2026 18:16 Go to previous message
thomas is currently offline  thomas
Messages: 743
Registered: June 2014
Senior Member
Sorry for the late reply. Do I understand correctly: You have a docking poses in the detail view and navigate the mouse over the structure view. When moving the mouse pointer from one structure to the next, the detail view changes to display the pose of that other structure. When the mouse pointer is in the middle of the structure view, there is no way to move the mouse to the detail view to change view properties like rotation and zoom state.

Yes, this is true. A workaround may be to scroll the structure view to a position that the structure of interest is at the upper or lower edge. Then your mouse doesn't need to traverse other structure on its way to the detail view. The idea to prevent detail view updates when pressing a key during mouse movement is intreaging. I have added that feature with the ALT-key. It will be part of the next update.

Report message to a moderator

Previous Topic: Chemical Search Integration in PostgreSQL (SaaS Architecture)
Goto Forum:
  

[ Syndicate this forum (XML) ] [ RSS ] [ PDF ]

Current Time: Sat Mar 21 21:21:31 CET 2026

Total time taken to generate the page: 0.00623 seconds
openmolecules.org